CAS 78441-62-0

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2 End Use APIs
13 Related Intermediates

Chemistry

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Also known as: 78441-62-0, 2-(dimethylaminomethyl)-4-(2-aminoethylthiomethyl)thiazole, 2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethanamine, Hhg5bm73j9, Mfcd08703310, 2-thiazolemethanamine, 4-[[(2-aminoethyl)thio]methyl]-n,n-dimethyl-

Molecular Formula

C₉H₁₇N₃S₂

Molecular Weight

231.4 g/mol

InChI Key

FDMDNIIUCZHKFE-UHFFFAOYSA-N

FDA UNII

HHG5BM73J9

1 2D Structure

CAS 78441-62-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethanamine

2.1.2 InChI

InChI=1S/C9H17N3S2/c1-12(2)5-9-11-8(7-14-9)6-13-4-3-10/h7H,3-6,10H2,1-2H3

2.1.3 InChI Key

FDMDNIIUCZHKFE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)CC1=NC(=CS1)CSCCN

2.2 Other Identifiers

2.2.1 UNII

HHG5BM73J9

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 78441-62-0

2. 2-(dimethylaminomethyl)-4-(2-aminoethylthiomethyl)thiazole

3. 2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethanamine

4. Hhg5bm73j9

5. Mfcd08703310

6. 2-thiazolemethanamine, 4-[[(2-aminoethyl)thio]methyl]-n,n-dimethyl-

7. 2-thiazolemethanamine, 4-(((2-aminoethyl)thio)methyl)-n,n-dimethyl-

8. 4-[[(2-aminoethyl)thio]methyl]-n,n-dimethyl-2-thiazolemethanamine

9. Einecs 278-909-9

10. 2-[2-dimethylaminomethyl-4-thiazolylmethylthio]ethylamine

11. 2-(2-dimethylaminomethyl-4-thiazolylmethylthio)ethylamine

12. 4-(((2-aminoethyl)thio)methyl)-n,n-dimethyl-2-thiazolemethanamine

13. Nizatidine Ep Impurity D

14. Unii-hhg5bm73j9

15. Schembl4348396

16. Dtxsid00999768

17. 4-(((2-aminoethyl)thio)methyl)-n,n-dimethylthiazole-2-methylamine

18. Zinc34586659

19. Akos015898888

20. As-14394

21. Sy107611

22. Nizatidine Impurity D [ep Impurity]

23. Cs-0151294

24. Ft-0653456

25. C76510

26. Fluoresceinmono-beta-d-galactopyranoside

27. A839421

28. W-104281

29. 2-dimethylaminomethyl-4-(2-aminoethyl)thiomethylthiazole

30. 4-(2-aminoethyl)thiomethyl-2-dimethylaminomethylthiazole

31. 2-[(2-dimethylaminomethyl-4-thiazolyl)methylthio]ethylamine

32. 2-([2-(dimethylaminomethyl)-4-thiazolyl]methylthio)ethylamine

33. 2-(2-dimethylaminomethyl-thiazol-4-ylmethylsulfanyl)-ethylamine

34. 2-{[2-(dimethylamino)methyl-4-thiazolyl]methylthio}ethylamine

35. 2-[[[2-[(dimethylamino)methyl]-4-thiazolyl]methyl]thio]ethanamine

36. 2-[(n,n-dimethylamino)methyl]-4-[(2-aminoethyl)thiomethyl] Thiazole

37. 2-(((2-((dimethylamino)methyl)thiazol-4-yl)methyl)sulfanyl)ethanamine

38. 2-[({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethan-1-amine

39. 2-[[2-[(dimethylamino)methyl]thiazol-4-yl]methylsulfanyl]ethanamine;2-(dimethylaminomethyl)-4-(2-aminoethylthiomethyl)thiazole

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₇N₃S₂
Molecular Weight	231.4 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	231.08638990 g/mol
Monoisotopic Mass	231.08638990 g/mol
Topological Polar Surface Area	95.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	155
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1